6GY9

Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	P 1 21 1
Unit cell lengths	66.280, 80.370, 71.510
Unit cell angles	90.00, 101.66, 90.00

Refinement procedure

Resolution	34.170 - 1.830
R-factor	0.202
Rwork	0.200
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.007
RMSD bond angle	0.803
Data reduction software	XDS (VERSION Jun 1, 2017)
Data scaling software	XSCALE (VERSION Jun 1, 2017)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.020	1.890
High resolution limit [Å]	1.830	1.830
Rmerge	0.041	0.519
Rmeas	0.051	0.645
Rpim	0.029	0.377
Number of reflections	61315	6006
<I/σ(I)>	15.92	2.03
Completeness [%]	93.5	92.57
Redundancy	2.7	2.7
CC(1/2)	0.999	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M sodium nitrate, 0.1 M bis-tris propane (pH7.5), 20% (w/v) PEG3350